# generated using pymatgen
data_Al2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41029783
_cell_length_b   13.12114525
_cell_length_c   51.80911748
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Cu
_chemical_formula_sum   'Al96 Cu48'
_cell_volume   5423.88618415
_cell_formula_units_Z   48
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al1  1  0.913990  0.869956  0.310126  1
  Al  Al2  1  0.153721  0.350699  0.333611  1
  Al  Al3  1  0.664298  0.870396  0.346153  1
  Al  Al4  1  0.487828  0.518369  0.335538  1
  Al  Al5  1  0.071203  0.684471  0.372482  1
  Al  Al6  1  0.832412  0.207162  0.336325  1
  Al  Al7  1  0.321634  0.685237  0.339691  1
  Al  Al8  1  0.490257  0.022918  0.345657  1
  Al  Al9  1  0.571203  0.684471  0.372482  1
  Al  Al10  1  0.332412  0.207162  0.336325  1
  Al  Al11  1  0.821634  0.685237  0.339691  1
  Al  Al12  1  0.990257  0.022918  0.345657  1
  Al  Al13  1  0.413990  0.869956  0.310126  1
  Al  Al14  1  0.653721  0.350699  0.333611  1
  Al  Al15  1  0.164298  0.870396  0.346153  1
  Al  Al16  1  0.987828  0.518369  0.335538  1
  Al  Al17  1  0.400633  0.843692  0.431274  1
  Al  Al18  1  0.659173  0.360589  0.410328  1
  Al  Al19  1  0.077665  0.697185  0.433437  1
  Al  Al20  1  0.838311  0.218241  0.409773  1
  Al  Al21  1  0.486050  0.514569  0.405231  1
  Al  Al22  1  0.259439  0.061576  0.374289  1
  Al  Al23  1  0.730282  0.503315  0.370214  1
  Al  Al24  1  0.993473  0.029350  0.403558  1
  Al  Al25  1  0.986050  0.514569  0.405231  1
  Al  Al26  1  0.759439  0.061576  0.374289  1
  Al  Al27  1  0.230282  0.503315  0.370214  1
  Al  Al28  1  0.493473  0.029350  0.403558  1
  Al  Al29  1  0.900633  0.843692  0.431274  1
  Al  Al30  1  0.159173  0.360589  0.410328  1
  Al  Al31  1  0.577665  0.697185  0.433437  1
  Al  Al32  1  0.338311  0.218241  0.409773  1
  Al  Al33  1  0.837875  0.717073  0.475055  1
  Al  Al34  1  0.153357  0.348955  0.471845  1
  Al  Al35  1  0.602610  0.746169  0.509919  1
  Al  Al36  1  0.328296  0.198488  0.470174  1
  Al  Al37  1  0.011780  0.564795  0.475479  1
  Al  Al38  1  0.742224  0.026882  0.436024  1
  Al  Al39  1  0.246940  0.535608  0.442620  1
  Al  Al40  1  0.476705  0.995941  0.467492  1
  Al  Al41  1  0.511780  0.564795  0.475479  1
  Al  Al42  1  0.242224  0.026882  0.436024  1
  Al  Al43  1  0.746940  0.535608  0.442620  1
  Al  Al44  1  0.976705  0.995941  0.467492  1
  Al  Al45  1  0.337875  0.717073  0.475055  1
  Al  Al46  1  0.653357  0.348955  0.471845  1
  Al  Al47  1  0.102610  0.746169  0.509919  1
  Al  Al48  1  0.828296  0.198488  0.470174  1
  Al  Al49  1  0.320784  0.682523  0.537665  1
  Al  Al50  1  0.510525  0.062424  0.545573  1
  Al  Al51  1  1.001051  0.542958  0.533503  1
  Al  Al52  1  0.824585  0.191054  0.529116  1
  Al  Al53  1  0.408894  0.359472  0.560373  1
  Al  Al54  1  0.236243  0.014811  0.500748  1
  Al  Al55  1  0.645822  0.333953  0.527477  1
  Al  Al56  1  0.921644  0.884698  0.514100  1
  Al  Al57  1  0.908894  0.359472  0.560373  1
  Al  Al58  1  0.736243  0.014811  0.500748  1
  Al  Al59  1  0.145822  0.333953  0.527477  1
  Al  Al60  1  0.421644  0.884698  0.514100  1
  Al  Al61  1  0.820784  0.682523  0.537665  1
  Al  Al62  1  0.010525  0.062424  0.545573  1
  Al  Al63  1  0.501051  0.542958  0.533503  1
  Al  Al64  1  0.324585  0.191054  0.529116  1
  Al  Al65  1  0.695328  0.431394  0.611669  1
  Al  Al66  1  1.000777  0.042697  0.600809  1
  Al  Al67  1  0.472474  0.485918  0.642286  1
  Al  Al68  1  0.185616  0.911984  0.598571  1
  Al  Al69  1  0.877381  0.295638  0.609602  1
  Al  Al70  1  0.594895  0.730815  0.566853  1
  Al  Al71  1  0.101692  0.244386  0.577808  1
  Al  Al72  1  0.307631  0.656073  0.593012  1
  Al  Al73  1  0.377381  0.295638  0.609602  1
  Al  Al74  1  0.094895  0.730815  0.566853  1
  Al  Al75  1  0.601692  0.244386  0.577808  1
  Al  Al76  1  0.807631  0.656073  0.593012  1
  Al  Al77  1  0.195328  0.431394  0.611669  1
  Al  Al78  1  0.500777  0.042697  0.600809  1
  Al  Al79  1  0.972474  0.485918  0.642286  1
  Al  Al80  1  0.685616  0.911984  0.598571  1
  Al  Al81  1  0.180630  0.402418  0.668089  1
  Al  Al82  1  0.384670  0.810062  0.678003  1
  Al  Al83  1  0.863528  0.268068  0.662072  1
  Al  Al84  1  0.672537  0.885756  0.652135  1
  Al  Al85  1  0.261127  0.062384  0.684534  1
  Al  Al86  1  0.082464  0.705872  0.621924  1
  Al  Al87  1  0.489284  0.019339  0.653626  1
  Al  Al88  1  0.790575  0.621608  0.647248  1
  Al  Al89  1  0.761127  0.062384  0.684534  1
  Al  Al90  1  0.582464  0.705872  0.621924  1
  Al  Al91  1  0.989284  0.019339  0.653626  1
  Al  Al92  1  0.290575  0.621608  0.647248  1
  Al  Al93  1  0.680630  0.402418  0.668089  1
  Al  Al94  1  0.884670  0.810062  0.678003  1
  Al  Al95  1  0.363528  0.268068  0.662072  1
  Al  Al96  1  0.172537  0.885756  0.652135  1
  Cu  Cu97  1  0.400000  0.841935  0.375646  1
  Cu  Cu98  1  0.055328  0.152887  0.308600  1
  Cu  Cu99  1  0.090055  0.722147  0.311655  1
  Cu  Cu100  1  0.239863  0.021765  0.312047  1
  Cu  Cu101  1  0.590055  0.722147  0.311655  1
  Cu  Cu102  1  0.739863  0.021765  0.312047  1
  Cu  Cu103  1  0.900000  0.841935  0.375646  1
  Cu  Cu104  1  0.555328  0.152887  0.308600  1
  Cu  Cu105  1  0.813426  0.669021  0.402330  1
  Cu  Cu106  1  0.585706  0.213751  0.372962  1
  Cu  Cu107  1  0.406801  0.356007  0.371358  1
  Cu  Cu108  1  0.663611  0.869415  0.400934  1
  Cu  Cu109  1  0.906801  0.356007  0.371358  1
  Cu  Cu110  1  0.163611  0.869415  0.400934  1
  Cu  Cu111  1  0.313426  0.669021  0.402330  1
  Cu  Cu112  1  0.085706  0.213751  0.372962  1
  Cu  Cu113  1  0.240473  0.522022  0.503050  1
  Cu  Cu114  1  0.069626  0.181113  0.439972  1
  Cu  Cu115  1  0.920722  0.383529  0.444095  1
  Cu  Cu116  1  0.156492  0.854994  0.466796  1
  Cu  Cu117  1  0.420722  0.383529  0.444095  1
  Cu  Cu118  1  0.656492  0.854994  0.466796  1
  Cu  Cu119  1  0.740473  0.522022  0.503050  1
  Cu  Cu120  1  0.569626  0.181113  0.439972  1
  Cu  Cu121  1  0.724234  0.489822  0.561841  1
  Cu  Cu122  1  0.558612  0.159305  0.498520  1
  Cu  Cu123  1  0.418460  0.379164  0.500228  1
  Cu  Cu124  1  0.694430  0.929952  0.546832  1
  Cu  Cu125  1  0.918460  0.379164  0.500228  1
  Cu  Cu126  1  0.194430  0.929952  0.546832  1
  Cu  Cu127  1  0.224234  0.489822  0.561841  1
  Cu  Cu128  1  0.058612  0.159305  0.498520  1
  Cu  Cu129  1  0.089595  0.219816  0.633192  1
  Cu  Cu130  1  0.910539  0.862068  0.569600  1
  Cu  Cu131  1  0.786210  0.113505  0.576557  1
  Cu  Cu132  1  0.993780  0.528585  0.590073  1
  Cu  Cu133  1  0.286210  0.113505  0.576557  1
  Cu  Cu134  1  0.493780  0.528585  0.590073  1
  Cu  Cu135  1  0.589595  0.219816  0.633192  1
  Cu  Cu136  1  0.410539  0.862068  0.569600  1
  Cu  Cu137  1  0.575011  0.190603  0.683880  1
  Cu  Cu138  1  0.397171  0.835114  0.623110  1
  Cu  Cu139  1  0.277706  0.096506  0.629339  1
  Cu  Cu140  1  0.569537  0.679599  0.673277  1
  Cu  Cu141  1  0.777706  0.096506  0.629339  1
  Cu  Cu142  1  0.069537  0.679599  0.673277  1
  Cu  Cu143  1  0.075011  0.190603  0.683880  1
  Cu  Cu144  1  0.897171  0.835114  0.623110  1
